4082 Cerm
TL;DR: 4082 Cerm (CAS 5451-09-2) is a chemical compound with molecular formula C15H26N2O2 and molecular weight 266.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethynylcyclohexyl)oxy-3-piperazin-1-ylpropan-2-ol
Also Known As: 4082 Cerm, Cerm 4082, (((1-Ethynylcyclohexyl)oxy)methyl)-1-piperazine-ethanol, 1-(1-ethynylcyclohexyl)oxy-3-piperazin-1-ylpropan-2-ol, 1-[(1-ethynylcyclohexyl)oxy]-3-(piperazin-1-yl)propan-2-ol
| Molecular Formula | C15H26N2O2 |
|---|---|
| Molecular Weight | 266.20 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.19943 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 5451-09-2 |
|---|---|
| SMILES | C#CC1(CCCCC1)OCC(CN2CCNCC2)O |
| InChIKey | XTJGZGQUMWGYAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4082 Cerm (CAS 5451-09-2), with molecular formula C15H26N2O2 and molecular weight 266.20 g/mol. IUPAC: 1-(1-ethynylcyclohexyl)oxy-3-piperazin-1-ylpropan-2-ol.
Chemical Property Profile of 4082 Cerm
Property Insights of 4082 Cerm
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4082 Cerm. With a topological polar surface area (TPSA) of 44.7 Ų, 4082 Cerm exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4082 Cerm has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4082 Cerm?
The CAS number of 4082 Cerm is 5451-09-2.
What is the molecular formula of 4082 Cerm?
The molecular formula of 4082 Cerm is C15H26N2O2.
What is the molecular weight of 4082 Cerm?
The molecular weight of 4082 Cerm is 266.20 g/mol.
Where can I buy 4082 Cerm?
You can request a quote for 4082 Cerm directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4082 Cerm?
Yes, KEHONG BIO provides custom synthesis services for 4082 Cerm and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.